SCHEMBL23925731

SCHEMBL23925731

Cc1cc(C(=O)O)c2c(c1C(=O)O)OC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
MAOB P27338 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23926093 0.71 AKR1B1 (0.39) KDM4EHPGDCYP3A4ACHEALDH1A1
SCHEMBL23926003 0.71 CA12 (0.40) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL10716396 0.71 CYP3A4 (0.42) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL2529829 0.66 CYP3A4 (0.48) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL29031971 0.65 CYP3A4 (0.50) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL23925965 0.65 CA12 (0.42) KDM4EGAAHPGDHSD17B10MAPT
SCHEMBL29927238 0.64 CYP3A4 (0.47) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL3030086 0.64 CYP3A4 (0.47) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL537616 0.64 CYP3A4 (0.47) KDM4EGAAHPGDHSD17B10CYP3A4
SCHEMBL70135 0.62 KDM4E (0.54) KDM4EGAAHPGDHSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 KDM4E 1082/4885GAA 809/4885HPGD 683/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.